[gmx-users] GMX 5.0.6 on nodes with gpus

[Mark Abraham]

Hi,

That's normal - we just didn't write the code to collect and compare the
information. 5.1 is better at this. Anyway, 5.0 mdrun will assume the
second node is the same as the first and proceed.

Mark

On Wed, Sep 16, 2015 at 5:12 PM <devapriyachem at gmail.com> wrote:

> Hello,
>
> I am running GMX 5.0.6 on 2 nodes of a cluster. Each node has 1 gpu (Tesla
> k20). In the log file, gmx reports that the program is running on 2 ranks
> and
> reports that it detects 1 gpu on one node.
>
> However, it says nothing about the gpu on second node. My guess is that
> this
> is not normal.  The mpi is handled by ibrun.
>
> ibrun -np 2 mdrun_mpi_gpu -gpu_id 0 -s md-01.tpr -x md-01.xtc -e md-01.edr
> -g
> md-01.log
>
> I am not sure how to fix the input, any pointers are greatly appreciated.
>
> Thanks,
> Deva.
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